Title:In Silico Studies Revealed Multiple Neurological Targets for the Antidepressant Molecule Ursolic Acid
Volume: 15
Issue: 8
Author(s): Rajeev K. Singla, Luciana Scotti and Ashok K. Dubey*
Affiliation:
- Division of Biological Sciences and Engineering, Netaji Subhas Institute of Technology, Sector-3, Dwarka, New Delhi, 110078,India
Keywords:
Ursolic acid, MAO-A inhibitor, MAO-B inhibitor, adenylyl cylase inhibitor, LeuT inhibitor, docking studies.
Abstract: Background: Ursolic acid, a bioactive pentacyclic triterpenoid had been evaluated for its
interaction with the neurological targets associated with antidepressant drugs. Current study was to
mechanistically analyze the probable site of action for ursolic acid on the target proteins.
Methods: Ursolic acid has been docked with monoamine oxidase isoforms: MAO-A and MAO-B,
LeuT (homologue of SERT, NET, DAT) and Human C-terminal CAP1 using GRIP docking
methodology.
Results: Results revealed its non-selective antidepressant action with strong binding affinity towards
LeuT and MAO-A proteins, which was found to be comparable with the reference ligands like
chlorgyline, clomipramine, sertraline and deprenyl/selegiline.
Conclusion: Significant binding affinity of ursolic acid was seen with MAO-A, which indicated its
potential role in other neurological disorders, for example, Alzheimer's disease and Parkinson disease
besides depression.
